Three chem. distinct calcd. proton shielding tensors of solid benzene - a consequence of interactions in the crystal - can be described as the superposition of the isolated mol. and the intermol. shielding contributions. In the ovaloid representations of the shielding tensors 1, 2, and 3 indicate the least, intermediate, and the most shielded principal axes, resp. [on SciFinder (R)]
Titre
Proton magnetic shielding tensors in benzene-from the individual molecule to the crystal
Publié dans
Angewandte Chemie, International Edition
Volume
45
Numéro
43
Pages
7292-7295
Date
2006
ISSN
1433-7851
Note
CAN 146:100281
22-10
Physical Organic Chemistry
Fachbereich Chemie,Technische Universitaet Dresden,Dresden,Germany.
Journal
written in English.
71-43-2 (Benzene) Role: PRP (Properties) (proton magnetic shielding tensors in benzene crystal)
Date de création de la notice
2007-10-22